(Z)-1-chloro-1-diethoxyphosphoryl-2-ethoxyethene

C8H16ClO4P — CID 13207011

IUPAC(Z)-1-chloro-1-diethoxyphosphoryl-2-ethoxyethene
SMILESCCO/C=C(\Cl)P(=O)(OCC)OCC
InChIInChI=1S/C8H16ClO4P/c1-4-11-7-8(9)14(10,12-5-2)13-6-3/h7H,4-6H2,1-3H3/b8-7+
InChIKeyMWAOOSBDAOLKPF-BQYQJAHWSA-N
MW242.64 g/mol
LogP3.33
Rot. Bonds7

About (Z)-1-chloro-1-diethoxyphosphoryl-2-ethoxyethene

(Z)-1-chloro-1-diethoxyphosphoryl-2-ethoxyethene (PubChem CID 13207011) has the molecular formula C8H16ClO4P and a molecular weight of 242.64 g/mol. Its IUPAC name is (Z)-1-chloro-1-diethoxyphosphoryl-2-ethoxyethene.

Molecular Properties

Compound Name(Z)-1-chloro-1-diethoxyphosphoryl-2-ethoxyethene
PubChem CID13207011
Molecular FormulaC8H16ClO4P
Molecular Weight242.64 g/mol
Exact Mass242.05
IUPAC Name(Z)-1-chloro-1-diethoxyphosphoryl-2-ethoxyethene
SMILESCCO/C=C(\Cl)P(=O)(OCC)OCC
InChIInChI=1S/C8H16ClO4P/c1-4-11-7-8(9)14(10,12-5-2)13-6-3/h7H,4-6H2,1-3H3/b8-7+
InChIKeyMWAOOSBDAOLKPF-BQYQJAHWSA-N
XLogP3.33
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.64
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-(1-Diethoxyphosphoryl-ethenoxy)-ethane
CID 2784304
1,1-Bis(diethoxyphosphoryl)-2-methoxyethene
CID 88050220
2-Chloro-2-(diethoxyphosphoryl)ethenyl diethyl phosphate
CID 86102525
[(Z)-1-diethoxyphosphoryl-2-ethoxyethenyl]-trimethylgermane
CID 134895592
(1-Chloro-2-ethoxyethenyl)phosphonic acid
CID 142772681
1-Chloro-1-diethoxyphosphoryl-1-methoxyethane
CID 174518566
(Z)-1-chloro-2-diethoxyphosphoryl-1-methoxyprop-1-ene
CID 23272776
1-[(Z)-1-chloro-2-dimethoxyphosphorylethenoxy]butane
CID 23272777
(Z)-1-chloro-2-diethoxyphosphoryl-1-ethoxyprop-1-ene
CID 23272868
(E)-1-chloro-1,2-bis(diethoxyphosphoryl)ethene
CID 23415611
(Z)-2-chloro-2-diethoxyphosphorylethenolate
CID 23416635
(Z)-2-chloro-2-diethoxyphosphoryl-1-ethoxyethenolate
CID 23416638

Frequently Asked Questions

What is the IUPAC name of (Z)-1-chloro-1-diethoxyphosphoryl-2-ethoxyethene?
The IUPAC name of (Z)-1-chloro-1-diethoxyphosphoryl-2-ethoxyethene (CID 13207011) is (Z)-1-chloro-1-diethoxyphosphoryl-2-ethoxyethene.
What is the SMILES notation for (Z)-1-chloro-1-diethoxyphosphoryl-2-ethoxyethene?
The canonical SMILES for (Z)-1-chloro-1-diethoxyphosphoryl-2-ethoxyethene is CCO/C=C(\Cl)P(=O)(OCC)OCC.
What is the InChIKey of (Z)-1-chloro-1-diethoxyphosphoryl-2-ethoxyethene?
The InChIKey is MWAOOSBDAOLKPF-BQYQJAHWSA-N. The full InChI is InChI=1S/C8H16ClO4P/c1-4-11-7-8(9)14(10,12-5-2)13-6-3/h7H,4-6H2,1-3H3/b8-7+.
What are the key properties of (Z)-1-chloro-1-diethoxyphosphoryl-2-ethoxyethene?
(Z)-1-chloro-1-diethoxyphosphoryl-2-ethoxyethene has a molecular weight of 242.64 g/mol, XLogP of 3.33, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-chloro-1-diethoxyphosphoryl-2-ethoxyethene is sourced from PubChem (CID 13207011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).